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6-Methylthiochroman-3-carboxylic acid
SpectraBase Compound ID 7JYxoN4ExBq
InChI InChI=1S/C11H12O2S/c1-7-2-3-10-8(4-7)5-9(6-14-10)11(12)13/h2-4,9H,5-6H2,1H3,(H,12,13)
InChIKey DMUZWCNOTWPNQM-UHFFFAOYSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Le8taHqmox
Name 6-Methylthiochroman-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-7-2-3-10-8(4-7)5-9(6-14-10)11(12)13/h2-4,9H,5-6H2,1H3,(H,12,13)
InChIKey DMUZWCNOTWPNQM-UHFFFAOYSA-N
Molecular Weight 208.275 g/mol
SMILES OC(C1CSc2c(C1)cc(cc2)C)=O
SPLASH splash10-08fr-0920000000-65acb498b6440a3d9efe
Source of Spectrum SO-1976-411-7
Synonyms 6-Methyl-3,4-dihydro-2H-1-benzothiopyran-3-carboxylic acid 6-Methylthiochromane-3-carboxylic acid
Wiley ID 1536903